CID 54593333

Ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CCOC(=O)C1=C(SC=N1)NC
InChI
InChI=1S/C7H10N2O2S/c1-3-11-7(10)5-6(8-2)12-4-9-5/h4,8H,3H2,1-2H3
InChIKey
GFPQIPQFZKUSOB-UHFFFAOYSA-N
Compound name
ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

186.0463 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.053576 138.2
[M+Na]+ 209.035518 146.7
[M-H]- 185.039024 141.1
[M+NH4]+ 204.080123 158.9
[M+K]+ 225.009458 145.2
[M+H-H2O]+ 169.043560 131.9
[M+HCOO]- 231.044501 158.1
[M+CH3COO]- 245.060151 181.1
[M+Na-2H]- 207.020966 140.2
[M]+ 186.04575142 141.9
[M]- 186.04684858 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe